1-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)piperidine

C12H21F3N2 — CID 91091171

IUPAC1-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)piperidine
SMILESCC1CCCN(N2CCCCC2C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2/c1-10-5-4-7-16(9-10)17-8-3-2-6-11(17)12(13,14)15/h10-11H,2-9H2,1H3
InChIKeyDYRHRVCVYQNFES-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.05
Rot. Bonds1

About 1-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)piperidine

1-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)piperidine (PubChem CID 91091171) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)piperidine
PubChem CID91091171
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name1-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)piperidine
SMILESCC1CCCN(N2CCCCC2C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2/c1-10-5-4-7-16(9-10)17-8-3-2-6-11(17)12(13,14)15/h10-11H,2-9H2,1H3
InChIKeyDYRHRVCVYQNFES-UHFFFAOYSA-N
XLogP3.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)piperidine?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)piperidine (CID 91091171) is 1-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)piperidine is CC1CCCN(N2CCCCC2C(F)(F)F)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)piperidine?
The InChIKey is DYRHRVCVYQNFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-10-5-4-7-16(9-10)17-8-3-2-6-11(17)12(13,14)15/h10-11H,2-9H2,1H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)piperidine?
1-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)piperidine has a molecular weight of 250.31 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-2-(trifluoromethyl)piperidine is sourced from PubChem (CID 91091171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).